4-Bromo-5-nitro-phthalonitrile
TL;DR: 4-Bromo-5-nitro-phthalonitrile (CAS 206268-72-6) is a chemical compound with molecular formula C8H2BrN3O2 and molecular weight 250.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-Bromo-5-nitro-phthalonitrile, 4-Bromo-5-nitrophthalonitrile, 4-bromo-5-nitrobenzene-1,2-dicarbonitrile, 4-Nitro-5-bromophthalonitrile, 4-bromo-5-nitrophthalodinitrile
| Molecular Formula | C8H2BrN3O2 |
|---|---|
| Molecular Weight | 250.93 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 250.93304 |
| Heavy Atoms | 14 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 206268-72-6 |
|---|---|
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])Br)C#N)C#N |
| InChIKey | PZOBMISAMQBXIY-UHFFFAOYSA-N |
Product Overview
4-Bromo-5-nitro-phthalonitrile (CAS 206268-72-6), with molecular formula C8H2BrN3O2 and molecular weight 250.93 g/mol. IUPAC: 4-bromo-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Bromo-5-nitro-phthalonitrile
Property Insights of 4-Bromo-5-nitro-phthalonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-nitro-phthalonitrile. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-5-nitro-phthalonitrile. Following Lipinski's Rule of Five, 4-Bromo-5-nitro-phthalonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-5-nitro-phthalonitrile?
The CAS number of 4-Bromo-5-nitro-phthalonitrile is 206268-72-6.
What is the molecular formula of 4-Bromo-5-nitro-phthalonitrile?
The molecular formula of 4-Bromo-5-nitro-phthalonitrile is C8H2BrN3O2.
What is the molecular weight of 4-Bromo-5-nitro-phthalonitrile?
The molecular weight of 4-Bromo-5-nitro-phthalonitrile is 250.93 g/mol.
Where can I buy 4-Bromo-5-nitro-phthalonitrile?
You can request a quote for 4-Bromo-5-nitro-phthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-5-nitro-phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-nitro-phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.